Tb4Pr16Ir5Pt7
High-Entropy Materials HEAMP-ID: mp-3294290 · Space group: C2 (#5)
Basic Information
Formula
Tb4Pr16Ir5Pt7
MP-ID
mp-3294290
Elements
4
Sites
32
Density
10.2718
g/cm³
Volume
843.36
ų
Cell a
11.3815
Å
Cell b
11.3815
Å
Cell c
6.5106
Å
α Angle
90.11
°
β Angle
90.11
°
γ Angle
90.13
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.57 | 5.6907 | 25.7 | (2,0,0) |
| 22.06 | 4.0287 | 9.2 | (2,-2,0) |
| 22.12 | 4.0193 | 9.3 | (2,2,0) |
| 22.15 | 4.0140 | 24.2 | (2,-1,-1) |
| 22.15 | 4.0127 | 23.4 | (2,1,-1) |
| 22.17 | 4.0106 | 22.8 | (2,-1,1) |
| 22.21 | 4.0025 | 22.6 | (2,1,1) |
| 24.72 | 3.6017 | 2.5 | (3,-1,0) |
| 24.75 | 3.5966 | 2.5 | (3,1,0) |
| 27.40 | 3.2553 | 7.8 | (0,0,2) |
| 28.30 | 3.1532 | 31.3 | (3,-1,-1) |
| 28.32 | 3.1515 | 33.9 | (3,1,-1) |
| 28.33 | 3.1499 | 29.8 | (3,-1,1) |
| 28.38 | 3.1449 | 28.5 | (3,1,1) |
| 28.50 | 3.1314 | 6.4 | (1,0,-2) |
| 28.53 | 3.1282 | 7.5 | (1,0,2) |
| 31.46 | 2.8435 | 40.5 | (3,-2,-1) |
| 31.48 | 2.8423 | 40.7 | (3,-2,1) |
| 31.49 | 2.8409 | 36.7 | (3,2,-1) |
| 31.56 | 2.8349 | 41.5 | (3,2,1) |
| 31.64 | 2.8280 | 25.5 | (2,0,-2) |
| 31.69 | 2.8233 | 25.1 | (2,0,2) |
| 32.62 | 2.7449 | 38.7 | (2,1,-2) |
| 32.63 | 2.7442 | 37.5 | (2,-1,-2) |
Energy Properties
Formation Energy/atom
-0.90377
eV/atom
Energy/atom
-38.95314
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.9531
eV/atom
Volume/atom
26.36
ų
c/a Ratio
0.5720
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0071
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
J/mol·K
Ω Parameter
5.0285
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.342%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5441
smaller = more stable mixing
VEC
6.219
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.418
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3294290
Reference Citation
The crystal structure and related material properties of Tb4Pr16Ir5Pt7 were obtained from the Materials Project database (MP-ID: mp-3294290, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Tb4Pr16Ir5Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.38150146
_cell_length_b 11.38150146
_cell_length_c 6.51056712
_cell_angle_alpha 90.11146179
_cell_angle_beta 90.11146179
_cell_angle_gamma 90.13335625
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb4Pr16Ir5Pt7
_chemical_formula_sum 'Tb4 Pr16 Ir5 Pt7'
_cell_volume 843.36410719
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb Tb0 1 0.99966190 0.99943558 0.50042151 1.0
Tb Tb1 1 0.00056442 0.00033810 0.99957849 1.0
Tb Tb2 1 0.49782795 0.50072592 0.99941479 1.0
Tb Tb3 1 0.49927408 0.50217205 0.50058521 1.0
Pr Pr4 1 0.29247258 0.08694413 0.37664058 1.0
Pr Pr5 1 0.29312234 0.90860646 0.87687294 1.0
Pr Pr6 1 0.70712956 0.08681626 0.87642868 1.0
Pr Pr7 1 0.70647993 0.91168905 0.37597731 1.0
Pr Pr8 1 0.58409735 0.79040666 0.87652690 1.0
Pr Pr9 1 0.58740358 0.20829043 0.37743453 1.0
Pr Pr10 1 0.41020690 0.79004341 0.38179844 1.0
Pr Pr11 1 0.41169361 0.20626039 0.87696869 1.0
Pr Pr12 1 0.20959334 0.41590265 0.62347310 1.0
Pr Pr13 1 0.20995659 0.58979310 0.11820156 1.0
Pr Pr14 1 0.79170957 0.41259642 0.12256547 1.0
Pr Pr15 1 0.79373961 0.58830639 0.62303131 1.0
Pr Pr16 1 0.91305587 0.70752742 0.12335942 1.0
Pr Pr17 1 0.91318374 0.29287044 0.62357132 1.0
Pr Pr18 1 0.09139354 0.70687766 0.62312706 1.0
Pr Pr19 1 0.08831095 0.29352007 0.12402269 1.0
Ir Ir20 1 0.35292610 0.64707390 0.75000000 1.0
Ir Ir21 1 0.50020713 0.00014583 0.11622834 1.0
Ir Ir22 1 0.49991453 0.00089735 0.61445357 1.0
Ir Ir23 1 0.99910265 0.50008547 0.88554643 1.0
Ir Ir24 1 0.99985417 0.49979287 0.38377166 1.0
Pt Pt25 1 0.85280826 0.14719174 0.25000000 1.0
Pt Pt26 1 0.85214889 0.85270855 0.75004925 1.0
Pt Pt27 1 0.14729145 0.14785111 0.74995075 1.0
Pt Pt28 1 0.14697417 0.85302583 0.25000000 1.0
Pt Pt29 1 0.64714796 0.35285204 0.75000000 1.0
Pt Pt30 1 0.64861922 0.64787493 0.24997061 1.0
Pt Pt31 1 0.35212507 0.35138078 0.25002939 1.0
